Geometry & MOs

Info

ID:	137783
PubChem CID:	52261447
Reduced:	BrON3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	381.265437
ΔH_f, kcal/mol:	-32.13
Dipole, Da:	5.8
IP(EA), eV:	-8.93(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-phenyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

Drug info:

PubChemData

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C[C@@H]1C[C@@H](CN(C1)CCCNC(=O)C2=CC(=CN=C2)Br)C

DOS

IR

Vibrations